Molecule

ID:46975

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl₂NO
Molecular Mass
248.1489
Exact Mass
247.05306947
Charge
0
InChI
InChI=1S/C11H14ClNO.ClH/c1-8-2-3-11(10(12)6-8)14-9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3;1H
InChIKey
FXKXVAXSBVNWRG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Cl)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)C)Cl)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.71275645
LogD (pH = 7.4)
-0.20633335
Log P
2.516839
Molar Refractivity
57.6582
Polarizability
22.813921
Polar Surface Area
21.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation